BAS 00216393
TL;DR: BAS 00216393 (CAS 87176-98-5) is a chemical compound with molecular formula C11H17ClN6OS and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(chloromethyl)-2-imino-1,3-oxazolidin-3-yl]-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
Also Known As: BAS 00216393, 4-(5-(chloromethyl)-2-iminooxazolidin-3-yl)-N-isopropyl-6-(methylthio)-1,3,5-triazin-2-amine, 4-[5-(chloromethyl)-2-imino-1,3-oxazolidin-3-yl]-6-(methylsulfanyl)-N-(propan-2-yl)-1,3,5-triazin-2-amine, 4-[5-(chloromethyl)-2-imino-1,3-oxazolidin-3-yl]-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
| Molecular Formula | C11H17ClN6OS |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 1.79257 |
| Topological Polar Surface Area | 87.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0873 |
| Heavy Atoms | 20 |
| Complexity | 499.80173 |
Chemical Identifiers
| CAS Number | 87176-98-5 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)SC)N2CC(OC2=N)CCl |
Product Overview
BAS 00216393 (CAS 87176-98-5), with molecular formula C11H17ClN6OS and molecular weight 316.09 g/mol. IUPAC: 4-[5-(chloromethyl)-2-imino-1,3-oxazolidin-3-yl]-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine.
Chemical Property Profile of BAS 00216393
Property Insights of BAS 00216393
The XLogP value of 1.79257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00216393. The TPSA of 87.02 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00216393. Following Lipinski's Rule of Five, BAS 00216393 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00216393?
The CAS number of BAS 00216393 is 87176-98-5.
What is the molecular formula of BAS 00216393?
The molecular formula of BAS 00216393 is C11H17ClN6OS.
What is the molecular weight of BAS 00216393?
The molecular weight of BAS 00216393 is 316.09 g/mol.
Where can I buy BAS 00216393?
You can request a quote for BAS 00216393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00216393?
Yes, KEHONG BIO provides custom synthesis services for BAS 00216393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.